Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C18H16FN3O3 |
| Molecular Weight | 341.3363 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
COC1=C(CN2C=CC3=C2C=NC4=C3CCN(O)C4=O)C=CC(F)=C1
InChI
InChIKey=OYKZKGBMHATGTA-UHFFFAOYSA-N
InChI=1S/C18H16FN3O3/c1-25-16-8-12(19)3-2-11(16)10-21-6-4-13-14-5-7-22(24)18(23)17(14)20-9-15(13)21/h2-4,6,8-9,24H,5,7,10H2,1H3
| Molecular Formula | C18H16FN3O3 |
| Molecular Weight | 341.3363 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:41:51 GMT 2023
by
admin
on
Sat Dec 16 11:41:51 GMT 2023
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| Record UNII |
CBR15S3HNJ
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| Record Status |
Validated (UNII)
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| Record Version |
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90666167
Created by
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DTXSID001031296
Created by
admin on Sat Dec 16 11:41:51 GMT 2023 , Edited by admin on Sat Dec 16 11:41:51 GMT 2023
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1515856-61-7
Created by
admin on Sat Dec 16 11:41:51 GMT 2023 , Edited by admin on Sat Dec 16 11:41:51 GMT 2023
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CBR15S3HNJ
Created by
admin on Sat Dec 16 11:41:51 GMT 2023 , Edited by admin on Sat Dec 16 11:41:51 GMT 2023
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ACTIVE MOIETY |
PF-4776548 is a lipophilic molecule with a measured logD7.4 of 2.1. The compound is essentially neutral with a basic pKa of 5.1 and an acidic pKa of 8.9. PF-4776548 is slowly metabolised in rat and human liver microsomes(Clint,app 26.1, and <8.3 undefinedL min1 mg1, respectively). Following incubation in liver microsomes in the presence of UDPGA, intrinsic clearance values of 43, 21 and 28 undefinedL min1 mg1 protein in rat, dog and human liver microsomes, respectively, were observed. The free fraction in liver microsomes is 0.4. PF-4776548 is metabolised in human hepatocytes (Clint 33 undefinedL min1 million cells1). In a derivative of an MDCK cell line expressing low levels of transporter activity, PF-4776548 exhibits high intrinsic membrane permeability (A-B Papp = 30106 cm/sec).
Plasma protein binding: The binding of PF-184298 to plasma proteins in rat, dog and human was 93.4+/-0.7%, 73.1+/-1.4% and 76.3+/-4.5%, respectively, and for PF-4776548 was 91.4+/-9.3%, 87.6+/-3.5% and 92.5+/-6.8%, respectively.
Pharmacokinetics in rats and dogs: Intravenous and oral pharmacokinetic parameters for PF-184298 and PF-4776548 in rats and dogs are presented in Table 2. Renal excretion of unchanged PF-184298 accounted for 2% of the dose in the dog. Renal excretion of PF-4776548 was <0.1% of dose in rat and dog.
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ACTIVE MOIETY |
Originator Pfizer: Class Antiretrovirals
Highest Development Phases: Phase I for HIV infections
Most Recent Event: No Data Available
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